PyRETIS contains PyVisA, a Python library to on-the-fly/post-processing
analysis, plotting and visualizations with a GUI interface.

PyRETIS is open source, easy to use
and can be interfaced with other simulation packages such as GROMACS, LAMMPS
or CP2K.

You can use the PyRETIS library to set up tailored
simulations or you can use a Python flavored input file
to run different kinds of path sampling simulations. Please see the
user guide for information about the usage and
how to obtain and install PyRETIS.